[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate

C21H34N2O3 — CID 10338704

IUPAC[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate
SMILESCCCCCOc1cccc(NC(=O)OC2CCC[C@@H]2N(CC)CC)c1
InChIInChI=1S/C21H34N2O3/c1-4-7-8-15-25-18-12-9-11-17(16-18)22-21(24)26-20-14-10-13-19(20)23(5-2)6-3/h9,11-12,16,19-20H,4-8,10,13-15H2,1-3H3,(H,22,24)/t19-,20?/m0/s1
InChIKeyYMAOYOXHPZIXHH-XJDOXCRVSA-N
MW362.51 g/mol
LogP5.07
Rot. Bonds10

About [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate

[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate (PubChem CID 10338704) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate.

Molecular Properties

Compound Name[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate
PubChem CID10338704
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate
SMILESCCCCCOc1cccc(NC(=O)OC2CCC[C@@H]2N(CC)CC)c1
InChIInChI=1S/C21H34N2O3/c1-4-7-8-15-25-18-12-9-11-17(16-18)22-21(24)26-20-14-10-13-19(20)23(5-2)6-3/h9,11-12,16,19-20H,4-8,10,13-15H2,1-3H3,(H,22,24)/t19-,20?/m0/s1
InChIKeyYMAOYOXHPZIXHH-XJDOXCRVSA-N
XLogP5.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-2-(diethylamino)cyclohexyl] N-(4-propoxyphenyl)carbamate
CID 23620550
diethyl-[2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
CID 53461527
[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-hexoxyphenyl)carbamate
CID 11741858
1-azoniabicyclo[2.2.2]octan-3-yl N-(3-butoxyphenyl)carbamate chloride
CID 44722400
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
3-piperidin-1-ylpropyl N-(3-nonoxyphenyl)carbamate
CID 15937470
(3-hexoxyphenyl)urea
CID 102387253
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-(3-hexoxyphenyl)adamantane-1-carboxamide
CID 54787334
(2-pyrrolidin-1-ium-1-ylcyclohexyl) N-(4-hexoxyphenyl)carbamate chloride
CID 78169012

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate?
The IUPAC name of [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate (CID 10338704) is [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate.
What is the SMILES notation for [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate?
The canonical SMILES for [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate is CCCCCOc1cccc(NC(=O)OC2CCC[C@@H]2N(CC)CC)c1.
What is the InChIKey of [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate?
The InChIKey is YMAOYOXHPZIXHH-XJDOXCRVSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-7-8-15-25-18-12-9-11-17(16-18)22-21(24)26-20-14-10-13-19(20)23(5-2)6-3/h9,11-12,16,19-20H,4-8,10,13-15H2,1-3H3,(H,22,24)/t19-,20?/m0/s1.
What are the key properties of [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate?
[(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate has a molecular weight of 362.51 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(diethylamino)cyclopentyl] N-(3-pentoxyphenyl)carbamate is sourced from PubChem (CID 10338704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).